Balík: python-indigo (1.1.12-2)
Odkazy pre python-indigo
Zdroje Trisquel:
Stiahnuť zdrojový balík indigo:
Správca:
Original Maintainers:
- Debichem Team (Konferencia)
- Michael Banck
Externé zdroje:
- Domovská stránka [ggasoftware.com]
Podobné balíky:
Organic Chemistry Toolkit (Python module)
Indigo is a C++ based organic chemistry and cheminformatics software environment. Features Include:
* Molecule and reaction rendering including SVG support * Automatic layout for SMILES-represented molecules and reactions * Canonical (isomeric) SMILES computation * Exact matching, substructure matching, SMARTS matching * Matching of tautomers and resonance structures * Molecule fingerprinting, molecule similarity computation * Fast enumeration of SSSR rings, subtrees, and edge sugraphs * Molecular weight, molecular formula computation * R-Group deconvolution and scaffold detection * Computation of the exact maximum common substructure for an arbitrary amount of input structures * Combinatorial chemistry * Plugin support in the API
File formats Indigo support include MDL Mol, SDF, RDF, CML, SMILES and SMARTS.
This package contains the Python modules.
Ostatné balíky súvisiace s balíkom python-indigo
|
|
|
-
- dep: libindigo0d (>= 1.1.12-2)
- Organic Chemistry Toolkit
-
- dep: python
- interactive high-level object-oriented language (default version)
- dep: python (<< 2.8)
- dep: python (>= 2.7)
Stiahnuť python-indigo
Architektúra | Veľkosť balíka | Nainštalovaná veľkosť | Súbory |
---|---|---|---|
all | 22.3 kB | 151 kB | [zoznam súborov] |